The compound you described, **1-(1-tert-butyl-5-tetrazolyl)-N-(2-furanylmethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine**, is a complex organic molecule with a specific structure designed for a particular purpose.
**Here's what we can infer about its importance for research:**
* **Structure:** The compound has a distinctive structure with various functional groups:
* **Tetrazole ring:** Tetrazoles are often used as bioisosteres of carboxylic acids, meaning they can mimic the behavior of carboxylic acids in biological systems.
* **tert-butyl group:** This bulky group can influence the compound's shape and interactions with other molecules.
* **Trifluoromethyl group:** Fluorine-containing groups can enhance a molecule's lipophilicity (ability to dissolve in fats), which can be important for drug delivery and interaction with biological membranes.
* **Furan ring:** This ring structure can also influence the compound's lipophilicity and contribute to its overall shape.
* **Aromatic rings:** The phenyl and furanyl rings contribute to the compound's electron distribution and potential for interaction with biological targets.
* **Potential Uses:** Given the structure, this compound is likely being researched as a potential **pharmacological agent**, possibly with activity against:
* **Infections:** Tetrazoles have been explored as potential anti-infective agents.
* **Inflammation:** Some compounds with similar structural features have shown anti-inflammatory properties.
* **Neurological disorders:** The compound might have potential for interaction with neuronal receptors or neurotransmitters.
**To fully understand its importance, we'd need more information:**
* **Biological Activity:** What specific biological effects has this compound shown in research studies?
* **Target:** Is there a specific protein or pathway it is designed to interact with?
* **Preclinical Studies:** Are there preclinical studies underway to evaluate its safety and efficacy in animal models?
**In summary,** the complex structure of this compound suggests it's likely a potential drug candidate being investigated for its pharmacological properties. Further research is needed to understand its precise role and potential for therapeutic applications.
ID Source | ID |
---|---|
PubMed CID | 3229320 |
CHEMBL ID | 1439337 |
CHEBI ID | 112316 |
Synonym |
---|
benzyl-[(1-tert-butyl-1h-tetrazol-5-yl)-(4-trifluoromethyl-phenyl)-methyl]-furan-2-ylmethyl-amine |
MLS000528002 , |
smr000120576 |
CHEBI:112316 |
n-benzyl-1-(1-tert-butyltetrazol-5-yl)-n-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine |
AKOS000757014 |
AKOS024314784 |
MLS003910037 |
HMS2177K16 |
REGID_FOR_CID_3229320 |
1-(1-tert-butyl-5-tetrazolyl)-n-(2-furanylmethyl)-n-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine |
cid_3229320 |
benzyl-[(1-tert-butyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]-(2-furfuryl)amine |
bdbm42418 |
1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-n-(furan-2-ylmethyl)-n-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine |
CHEMBL1439337 |
Q27192420 |
Class | Description |
---|---|
(trifluoromethyl)benzenes | An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens. |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 5.6234 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 24.8446 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
IDH1 | Homo sapiens (human) | Potency | 23.1093 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 14.5810 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 5.1453 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 6.5131 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 15.8489 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
neuropeptide Y receptor type 1 | Homo sapiens (human) | IC50 (µMol) | 35.0000 | 1.9380 | 6.5067 | 9.0040 | AID1277 |
neuropeptide Y receptor type 2 | Homo sapiens (human) | IC50 (µMol) | 35.0000 | 0.2200 | 4.4947 | 8.1510 | AID1278 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.56) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |